Code

v3.6.0#43

Code

Merged

paulsbond merged 42 commits intomasterpaulsbond/modelcraft:masterfrom complexespaulsbond/modelcraft:complexesCopy head branch name to clipboardMar 13, 2024

+251-26

Commits

Commits on Jan 9, 2024

• initial commit

  Dialpuri

  committed
  f34bdfd

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• Add clash detection and combining for Buccaneer and Nautilus results

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  Dialpuri

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Commits on Jan 22, 2024

• Changed scoring, refinement program

  Dialpuri

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Commits on Jan 24, 2024

• Refactor model combination code and enhance clash detection

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  Dialpuri

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• Refactor clash logic and introduce score metrics

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  Dialpuri

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Commits on Jan 26, 2024

• Refactor clash detection and introduce zone-based scoring

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  Dialpuri

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Commits on Jan 31, 2024

• Changed to scorin only positive difference density

  Dialpuri

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• Merge remote-tracking branch 'upstream/master' into combination-p-na

  Dialpuri

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• Merge remote-tracking branch 'upstream/master' into combination-p-na

  Dialpuri

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• Merge branch 'combination-p-na' of https://github.com/Dialpuri/modelcraft into combination-p-na

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Commits on Feb 2, 2024

• Changed scoring to -z_difference only

  Dialpuri

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Commits on Feb 5, 2024

• Merge pull request #38 from Dialpuri/combination-p-na

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  paulsbond

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• Added codeowners file

  paulsbond

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• Updated VS Code settings

  paulsbond

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• Pipeline structure updates

  paulsbond

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• Removed some unused code

  paulsbond

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Commits on Feb 6, 2024

• Removed unused argument

  paulsbond

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• Pruned combine code

  paulsbond

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Commits on Feb 19, 2024

• Simplified statistics and fixed dbl scoring issue

  Dialpuri

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Commits on Feb 21, 2024

• Merge pull request #40 from paulsbond/master

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  paulsbond

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• Switch back to refmacat

  paulsbond

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• Removed ununsed StructureType

  paulsbond

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• Removed enum import

  paulsbond

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• Simplified calculate_stats_per_residue

  paulsbond

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• Passing structures instead of refmac results

  paulsbond

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• Removed custom types

  paulsbond

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Commits on Feb 22, 2024

• Reverted to Refmac results for fphi_diff

  paulsbond

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• Moved to a single combine module

  paulsbond

  committed
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• Some shortening

  paulsbond

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• Using generic names

  paulsbond

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Commits on Feb 27, 2024

• Combine rework (in progress)

  paulsbond

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Commits on Feb 28, 2024

• Unpacking list

  paulsbond

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• Check key exists

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Commits on Mar 5, 2024

• Merge pull request #42 from paulsbond/master

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  paulsbond

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Commits on Mar 8, 2024

• Updated combine script

  paulsbond

  committed
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• Bug fixes in combine module

  paulsbond

  committed
  6506ee8

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• Library monomer groups

  paulsbond

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• Separating protein and nucleic stats

  paulsbond

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Commits on Mar 12, 2024

• Fixed isolated fragments bug

  paulsbond

  committed
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• Choosing best structure

  paulsbond

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Commits on Mar 13, 2024

• Removed from top level API

  paulsbond

  committed
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• Version 3.6.0

  paulsbond

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